Vitas-M small molecule compound
7-chloro-N-(2-ethylphenyl)-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389622
SMILES CCc1ccccc1NC(=O)C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H21ClN2O4S MW 408.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O4S/c1-3-13-6-4-5-7-15(13)21-19(23)18-10-11-22(27(2,24)25)16-12-14(20)8-9-17(16)26-18/h4-9,12,18H,3,10-11H2,1-2H3,(H,21,23)InChIKey
HKOWLVDBEAHSQD-UHFFFAOYSA-NSynonyms
7chloroN(2ethylphenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(2ethylphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CCC1=CC=CC=C1NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC19H21ClN2O4Sc1313645715(13)2119(23)18101122(27(224)25)161214(20)8917(16)2618h491218H31011H212H3(H2123)
MFCD13982877
ZINC000038833687
ZINC000038833688
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